V024-7971 Screening compound: 6-[(4-benzylpiperazino)methyl]-2-[4-(2-thienylcarbonyl)piperazino]-4(3H)-pyrimidinone

V024-7971 Screening compound: 6-[(4-benzylpiperazino)methyl]-2-[4-(2-thienylcarbonyl)piperazino]-4(3H)-pyrimidinone
V024-7971 Screening compound: 6-[(4-benzylpiperazino)methyl]-2-[4-(2-thienylcarbonyl)piperazino]-4(3H)-pyrimidinone alternative view

Chemical Structure Depiction of ChemDiv screening compound V024-7971
6-[(4-benzylpiperazino)methyl]-2-[4-(2-thienylcarbonyl)piperazino]-4(3H)-pyrimidinone

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

V024-7971

Molecular Formula

C25H30N6O2S (C25 H30 N6 O2 S)

Compound Name

6-[(4-benzylpiperazino)methyl]-2-[4-(2-thienylcarbonyl)piperazino]-4(3H)-pyrimidinone

IUPAC name

6-[(4-benzylpiperazin-1-yl)methyl]-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]-34-dihydropyrimidin-4-one

SMILES

O=C(c1cccs1)N(CC1)CCN1C(N1)=NC(CN2CCN(Cc3ccccc3)CC2)=CC1=O

InChI

InChI=1S/C25H30N6O2S/c32-23-17-21(19-29-10-8-28(9-11-29)18-20-5-2-1-3-6-20)26-25(27-23)31-14-12-30(13-15-31)24(33)22-7-4-16-34-22/h1-7,16-17H,8-15,18-19H2,(H,26,27,32)

InChI Key

UPBCKMDJEFFMMK-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

478.62

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.761

Distribution Coefficient, logD

-0.026

Water Solubility, LogSw

-2.36

Polar Surface Area

63.110

Acid Dissociation Constant (pKa)

8.87

Base Dissociation Constant (pKb)

8.20

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

V024-7971 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with V024-7971 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V024-7971?
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What is the minimum amount of V024-7971 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V024-7971
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V024-7971
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of V024-7971 available by request